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662160-77-2 | 2-Iodo-6-methoxy-4-(2-nitro-vinyl)-phenol
CAS No: 662160-77-2 Catalog No: AG01EWTO MDL No:
Product Description
Catalog Number:
AG01EWTO
Chemical Name:
2-Iodo-6-methoxy-4-(2-nitro-vinyl)-phenol
CAS Number:
662160-77-2
Molecular Formula:
C9H8INO4
Molecular Weight:
321.0686
IUPAC Name:
2-iodo-6-methoxy-4-(2-nitroethenyl)phenol
InChI:
InChI=1S/C9H8INO4/c1-15-8-5-6(2-3-11(13)14)4-7(10)9(8)12/h2-5,12H,1H3
InChI Key:
JWBSPDRKJYGSJN-UHFFFAOYSA-N
SMILES:
COc1cc(/C=C/[N+](=O)[O-])cc(c1O)I
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.95g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
321.07g/mol
Monoisotopic Mass:
320.95g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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